HMDB0301773 RDKit 3D Ractopamine hydrochloride 47 47 0 0 0 0 0 0 0 0999 V2000 -0.2026 1.9365 -1.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6688 1.0178 -0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5812 1.8390 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 1.0603 1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4171 0.1617 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0061 -1.1330 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8324 -2.0408 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0867 -1.6719 -0.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9604 -2.5443 -1.6082 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.3624 -0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6651 0.5258 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 0.2163 0.0953 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0733 1.0184 0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1196 0.2518 1.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5049 -0.7396 2.4824 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2254 -0.2545 0.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1683 -1.4364 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2186 -1.8623 -0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 -1.1238 -0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4522 -1.5285 -1.5528 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4405 0.0711 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3917 0.4871 0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6893 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4566 2.3003 -2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0531 1.3856 -1.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5295 2.8300 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1858 0.3493 -1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 2.4994 -0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9735 2.5288 0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9276 0.5395 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1231 1.8136 1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0374 -1.5138 0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5194 -3.0721 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6065 -3.1144 -1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4856 -0.0726 -1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 1.5400 0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9129 -0.2706 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5689 1.8821 0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4374 1.5111 1.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5509 0.9870 2.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8151 -1.1886 1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -2.0321 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1393 -2.7933 -1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1946 -2.0994 -1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3347 0.6645 -0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4688 1.4375 1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6893 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 11 5 1 0 22 16 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 6 32 1 0 7 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 15 41 1 0 17 42 1 0 18 43 1 0 20 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 M END